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Journal of Computer-Aided Molecular Design|September 28, 1998
PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acidC Alemán, J Casanovas, S E GalembeckJournal of Computer-Aided Molecular Design|September 28, 1998
A flexible triangulation method to describe the solvent-accessible surface of biopolymersA H Juffer, H J VogelJournal of Computer-Aided Molecular Design|February 1, 2015
Introducing the 'active search' method for iterative virtual screeningRoman Garnett, Thomas Gärtner, Martin Vogt, et al.Journal of Computer-Aided Molecular Design|July 1, 2014
Box size effects are negligible for solvation free energies of neutral solutesSreeja Parameswaran, David L MobleyJournal of Computer-Aided Molecular Design|July 4, 2014
Analysis of stacking overlap in nucleic acid structures: algorithm and applicationPavan Kumar Pingali, Sukanya Halder, Debasish Mukherjee, et al.Journal of Computer-Aided Molecular Design|July 26, 2012
Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional moleculesLiang Xu, Ke Gao, Chunyu Bao, et al.Journal of Computer-Aided Molecular Design|April 27, 2021
Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assaysHuizhen Ge, Longfei Mao, Jie Zhao, et al.Journal of Computer-Aided Molecular Design|October 12, 2012
IADE: a system for intelligent automatic design of bioisosteric analogsPeter Ertl, Richard LewisJournal of Computer-Aided Molecular Design|October 12, 2012
Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generationDmitry Lupyan, Yuriy A Abramov, Woody ShermanJournal of Computer-Aided Molecular Design|October 12, 2012
Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitorsOri Kalid, Dora Toledo Warshaviak, Sharon Shechter, et al.Pageof 263